SCHEMBL4768271

SCHEMBL4768271

NC(=O)c1ccc(-c2cccnc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.65
MKNK2 Q9HBH9 12/20 0.65
CHEK2 O96017 1/20 0.56
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
GSK3B P49841 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31228498 1.00 MKNK1 (0.65) MKNK1MKNK2CHEK2CYP2A6ALDH1A1
SCHEMBL4768283 0.85 KMT2A (0.57) MKNK1MKNK2SIRT6GSK3BADORA3
SCHEMBL1810092 0.84 MKNK1 (0.64) MKNK1MKNK2CHEK2CYP2A6ALDH1A1
SCHEMBL2927582 0.84 HIF1A (0.53) MKNK1MKNK2CHEK2ALDH1A1GSK3B
SCHEMBL30617944 0.82 GSK3B (0.54) MKNK1MKNK2CHEK2GSK3BADORA3
SCHEMBL933914 0.81 MKNK1 (0.59) MKNK1MKNK2CHEK2CYP2A6ALDH1A1
SCHEMBL30761107 0.81 MKNK1 (0.59) MKNK1MKNK2CHEK2CYP2A6ALDH1A1
SCHEMBL29186573 0.81 GSK3B (0.52) MKNK1MKNK2CHEK2GSK3BADORA3
SCHEMBL19376938 0.79 MKNK1 (0.55) MKNK1MKNK2CHEK2CYP2A6ALDH1A1
SCHEMBL5320806 0.79 MKNK1 (0.68) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080106-A Cyclic ether compounds useful as kinase inhibitors NOVARTIS AG 2013-05-01 CN disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 MKNK1 1775/4885MKNK2 1323/4885CHEK2 1737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.